SCHEMBL23912255

SCHEMBL23912255

CCc1nc2cccc(OCC(C)(CO)CO)c2c(=O)n1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PIK3R1 P27986 1/20 0.40
POLB P06746 2/20 0.40
PSMD14 O00487 1/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
BLM P54132 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
USP2 O75604 1/20 0.39
PABPC1 P11940 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17458216 0.83 PIK3CD (0.64) PIK3CDPIK3R1
SCHEMBL17458219 0.83 PIK3CD (0.64) PIK3CDPIK3R1
SCHEMBL17458462 0.82 PIK3CD (0.66) PIK3CDPIK3R1
SCHEMBL23912248 0.78 PIK3CD (0.56) PIK3CDSMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL23912244 0.77 PIK3CD (0.57) PIK3CDSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL17235505 0.76 ESR1 (0.60) SMN1; SMN2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL20404396 0.76 PIK3CD (0.57) PIK3CDSMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL23912309 0.76 HRH3 (0.60) PIK3CDALDH1A1KCNH2HRH3MEN1
SCHEMBL23912241 0.76 HRH3 (0.60) PIK3CDALDH1A1KCNH2HRH3MEN1
SCHEMBL23912306 0.74 PIK3CD (0.56) PIK3CDSMN1; SMN2ALDH1A1KCNH2HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160960-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-10-13 EP disclosed